[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone

C23H26N4O — CID 72900369

IUPAC[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CC1)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(21-7-4-13-27(21)20-8-9-20)25-14-10-19(11-15-25)22-24-12-16-26(22)17-18-5-2-1-3-6-18/h1-7,12-13,16,19-20H,8-11,14-15,17H2
InChIKeyUECRJQCLAIYLAP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.09
Rot. Bonds5

About [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone

[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone (PubChem CID 72900369) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
PubChem CID72900369
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CC1)N1CCC(c2nccn2Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(21-7-4-13-27(21)20-8-9-20)25-14-10-19(11-15-25)22-24-12-16-26(22)17-18-5-2-1-3-6-18/h1-7,12-13,16,19-20H,8-11,14-15,17H2
InChIKeyUECRJQCLAIYLAP-UHFFFAOYSA-N
XLogP4.09
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 102602758
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942
3-[2-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70712835
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-hydroxy-4-methylpentan-1-one
CID 70744906
[4-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 3867068
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
1,2,3-benzothiadiazol-5-yl-[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 3603098
4-(1-benzylimidazol-2-yl)-N,N-dimethylpiperidine-1-sulfonamide
CID 70743543
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 96571760
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The IUPAC name of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone (CID 72900369) is [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone is O=C(c1cccn1C1CC1)N1CCC(c2nccn2Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
The InChIKey is UECRJQCLAIYLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(21-7-4-13-27(21)20-8-9-20)25-14-10-19(11-15-25)22-24-12-16-26(22)17-18-5-2-1-3-6-18/h1-7,12-13,16,19-20H,8-11,14-15,17H2.
What are the key properties of [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone?
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone has a molecular weight of 374.49 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylimidazol-2-yl)piperidin-1-yl]-(1-cyclopropylpyrrol-2-yl)methanone is sourced from PubChem (CID 72900369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).